(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide

C18H19ClN4O2 — CID 122318746

IUPAC(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H19ClN4O2/c19-15-4-2-1-3-14(15)5-6-18(24)21-13-16-20-8-7-17(22-16)23-9-11-25-12-10-23/h1-8H,9-13H2,(H,21,24)/b6-5+
InChIKeyMXFDWGPWXNRUMQ-AATRIKPKSA-N
MW358.83 g/mol
LogP2.30
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide (PubChem CID 122318746) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
PubChem CID122318746
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C18H19ClN4O2/c19-15-4-2-1-3-14(15)5-6-18(24)21-13-16-20-8-7-17(22-16)23-9-11-25-12-10-23/h1-8H,9-13H2,(H,21,24)/b6-5+
InChIKeyMXFDWGPWXNRUMQ-AATRIKPKSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318884
(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]prop-2-enamide
CID 122255066
(E)-3-(2-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 39248673
(E)-3-(1,3-benzodioxol-5-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318760
(E)-3-(2-chlorophenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122317790
(E)-3-(2-chlorophenyl)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318190
3-(2-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122318975
(E)-3-(2,5-difluorophenyl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318606
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
(E)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-3-phenylprop-2-enamide
CID 71807450
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide (CID 122318746) is (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide?
The InChIKey is MXFDWGPWXNRUMQ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-15-4-2-1-3-14(15)5-6-18(24)21-13-16-20-8-7-17(22-16)23-9-11-25-12-10-23/h1-8H,9-13H2,(H,21,24)/b6-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide has a molecular weight of 358.83 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 122318746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).